| General Property |
| Molceule ID (DB) | EGIN0004662 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 34 |
| IUPAC Name | (2S)-1-amino-3-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)propan-2-ol |
| Formula | C18H18ClFN4O3 |
| Mass | 392.812 |
| Exact Mass | 392.1051464 |
| Composition | C (55.04%), H (4.62%), Cl (9.03%), F (4.84%), N (14.26%), O (12.22%) |
| Atom Count | 45 |
| PI | 11.7 |
| Smiles | c1c(c(cc2c1c(ncn2)Nc1ccc(c(c1)Cl)F)OC)OC[C@H](CN)O |
| InChI | 1S/C18H18ClFN4O3/c1-26-16-6-15-12(5-17(16)27-8-11(25)7-21)18(23-9-22-15)24-10-2-3-14(20)13(19)4-10/h
2-6,9,11,25H,7-8,21H2,1H3,(H,22,23,24)/t11-/m0/s1 |
| InChIKey | AYMHYBUGFXYGNZ-NSHDSACASA-N |
| 2D Structure |  | Structure Backbone |  |
|
| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 11459659 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 23150365 |
| ChEMBL Link | - |
